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Compile Data Set for Download or QSAR

Found 357 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 [353-454]'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528638
PNG
(US11192900, Compound 584 | US11192900, Example S-6...)
Show SMILES COc1cc(=O)n(C)cc1-c1cc(NC(=O)C=C)ccc1Oc1c(C)cccc1C
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528643
PNG
(US11192900, Compound 611 | US11192900, Example S-6...)
Show SMILES CCNC(=O)c1cc2c(s1)c(cn(C)c2=O)-c1cc(NC(=O)\C=C\C)ccc1Oc1c(C)cccc1C
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528646
PNG
(US11192900, Compound 406 | US11192900, Example S-7...)
Show SMILES COc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)C=C)ccc1Oc1ccc(F)cc1F
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528627
PNG
(US11192900, Compound 412 | US11192900, Example S-5...)
Show SMILES CCNC(=O)c1cc2c(s1)c(cn(C)c2=O)-c1cc(NC(=O)C=C)ccc1Oc1c(C)cccc1C
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528648
PNG
(US11192900, Compound 616 | US11192900, Compound 70...)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-n1cc(C)c(=O)c2ccccc12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528647
PNG
(US11192900, Compound 661 | US11192900, Example S-7...)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-n1cc(Cl)c(=O)c2ccccc12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528641
PNG
(US11192900, Compound 588 | US11192900, Example S-6...)
Show SMILES CCNC(=O)c1cc2c(s1)c(cn(C)c2=O)-c1cc(NC(=O)C=C)ccc1Oc1c(C)cc(F)cc1C
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528629
PNG
(US11192900, Compound 411 | US11192900, Example S-5...)
Show SMILES CNc1cc(cn(C)c1=O)-c1cc(NC(=O)C=C)ccc1Oc1c(C)cccc1C
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528651
PNG
(US11192900, Compound 570 | US11192900, Example S-7...)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2c(C)cc(F)cc2C)c(c1)-n1cc(C)c(=O)c2ccccc12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528640
PNG
(US11192900, Compound 587 | US11192900, Example S-6...)
Show SMILES CCNC(=O)c1cc2c(s1)c(cn(C)c2=O)-c1cc(NC(=O)C#C)ccc1Oc1c(C)cccc1C
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528624
PNG
(US11192900, Compound 407 | US11192900, Example S-4...)
Show SMILES COc1cc(=O)n(C)cc1-c1cc(NC(=O)C=C)ccc1Oc1ccc(F)cc1F
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528602
PNG
(US11192900, Compound 21 | US11192900, Example S-28)
Show SMILES CNc1cc(cn(C)c1=O)-c1cc(NS(=O)(=O)C=C)ccc1Nc1ccc(F)cc1F
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528642
PNG
(US11192900, Compound 589 | US11192900, Example S-6...)
Show SMILES CC(C)Oc1cc(=O)n(C)cc1-c1cc(NC(=O)C=C)ccc1Oc1c(C)cccc1C
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528632
PNG
(US11192900, Compound 381 | US11192900, Example S-5...)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2s1)-c1cc(NC(=O)C=C)ccc1Oc1c(C)cccc1C
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528590
PNG
(US11192900, Compound 11 | US11192900, Example S-18)
Show SMILES Cn1cc(-c2cc(NS(=O)(=O)C=C)ccc2Oc2ccc(F)cc2)c2ccccc2c1=O
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528612
PNG
(US11192900, Compound 29 | US11192900, Example S-36)
Show SMILES CN(C)c1cc(cn(C)c1=O)-c1cc(NC(=O)C=C)ccc1Oc1ccc(F)cc1F
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528587
PNG
(US11192900, Compound 8 | US11192900, Example S-15)
Show SMILES CNc1cc(cn(C)c1=O)-c1cc(NS(=O)(=O)C=C)ccc1Oc1ccc(OC)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528636
PNG
(US11192900, Compound 167 | US11192900, Example S-6...)
Show SMILES CNc1cc(cn(C)c1=O)-c1cc(NC(=O)C=C)ccc1Oc1c(C)cc(F)cc1C
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528580
PNG
(US11192900, Compound 3 | US11192900, Example S-10)
Show SMILES CNc1cc(cn(C)c1=O)-c1cc(NS(=O)(=O)C=C)ccc1Oc1ccc(F)cc1F
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528580
PNG
(US11192900, Compound 3 | US11192900, Example S-10)
Show SMILES CNc1cc(cn(C)c1=O)-c1cc(NS(=O)(=O)C=C)ccc1Oc1ccc(F)cc1F
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528583
PNG
(US11192900, Compound 4 | US11192900, Example S-11)
Show SMILES CNc1cc(cn(C)c1=O)-c1cc(NS(=O)(=O)C=C)ccc1Oc1ccc(C)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528586
PNG
(US11192900, Compound 7 | US11192900, Example S-14)
Show SMILES CNc1cc(cn(C)c1=O)-c1cc(NS(=O)(=O)C=C)ccc1Oc1ccc(F)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528592
PNG
(US11192900, Compound 13 | US11192900, Example S-20)
Show SMILES Cc1ccc(Oc2ccc(NS(=O)(=O)C=C)cc2-c2cn(C)c(=O)c3ccccc23)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528596
PNG
(US11192900, Compound 16 | US11192900, Example S-23)
Show SMILES CN(C)c1cc(cn(C)c1=O)-c1cc(NS(=O)(=O)C=C)ccc1Oc1ccc(F)cc1F
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528645
PNG
(US11192900, Compound 613 | US11192900, Example S-6...)
Show SMILES Cc1cn(-c2cc(NC(=O)C=C)ccc2Oc2ccc(F)cc2F)c2ccccc2c1=O
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 27n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528595
PNG
(US11192900, Compound 15 | US11192900, Example S-22)
Show SMILES CNc1cc(cn(C)c1=O)-c1cc(ccc1Oc1ccc(F)cc1F)N(C)S(=O)(=O)C=C
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 34n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528591
PNG
(US11192900, Compound 12 | US11192900, Example S-19)
Show SMILES COc1ccc(Oc2ccc(NS(=O)(=O)C=C)cc2-c2cn(C)c(=O)c3ccccc23)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
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US Patent
n/an/a 37n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528639
PNG
(US11192900, Compound 585 | US11192900, Example S-6...)
Show SMILES CCNC(=O)c1cc2c(s1)c(cn(C)c2=O)-c1cc(NC(=O)C=C)ccc1Nc1c(C)cccc1C
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 43n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528589
PNG
(US11192900, Compound 10 | US11192900, Example S-17)
Show SMILES Cn1cc(-c2cc(NS(=O)(=O)C=C)ccc2Oc2ccc(F)cc2F)c2ccccc2c1=O
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 56n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528613
PNG
(US11192900, Compound 30 | US11192900, Example S-37)
Show SMILES CNc1cc(cn(C)c1=O)-c1cc(NC(=O)C=C)ccc1Oc1ccc(F)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 57n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528581
PNG
(US11192900, Compound 1 | US11192900, Example S-8)
Show SMILES CNc1cc(cn(C)c1=O)-c1cc(NC(=O)C=C)ccc1Oc1ccc(F)cc1F
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a


TBA

Assay Description
The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528617
PNG
(US11192900, Compound 409 | US11192900, Example S-4...)
Show SMILES COc1ccc(Oc2ccc(NC(=O)C=C)cc2-c2cn(C)c(=O)c3ccccc23)cc1
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The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528637
PNG
(US11192900, Compound 583 | US11192900, Example S-6...)
Show SMILES Cn1cc(-c2cc(NC(=O)C=C)ccc2Oc2c(F)cccc2F)c2ccccc2c1=O
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The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


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BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528631
PNG
(US11192900, Compound 86 | US11192900, Example S-55)
Show SMILES C\C=C\S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2ccccc12
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The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM528648
PNG
(US11192900, Compound 616 | US11192900, Compound 70...)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-n1cc(C)c(=O)c2ccccc12
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The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were con...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZJK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM318607
PNG
((4S)-2-(4-Acetyl-1,4-diazepan-1-yl)-7-(3,5-dimethy...)
Show SMILES CC(=O)N1CCCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wD:26.28,(5.98,4.51,;4.65,5.28,;4.65,6.82,;3.32,4.51,;1.93,5.18,;.54,4.51,;.2,3.01,;1.16,1.8,;2.7,1.8,;3.66,3.01,;.39,.47,;1.16,-.86,;.39,-2.2,;.39,-3.74,;-.95,-4.51,;-2.28,-3.74,;-3.61,-4.51,;-3.61,-6.05,;-2.28,-6.82,;-5.08,-6.52,;-5.98,-5.28,;-5.08,-4.03,;-5.85,-2.7,;-2.28,-2.2,;-3.61,-1.43,;-3.61,.11,;-2.28,.88,;-2.28,2.42,;-3.61,3.19,;-3.61,4.73,;-2.28,5.5,;-.95,4.73,;-.95,3.19,;-.95,.11,;-.95,-1.43,)|
Show InChI InChI=1S/C26H28N6O3/c1-16-23(17(2)35-29-16)19-8-9-21-24-25(19)34-15-22(20-7-4-5-10-27-20)32(24)26(28-21)31-12-6-11-30(13-14-31)18(3)33/h4-5,7-10,22H,6,11-15H2,1-3H3/t22-/m1/s1
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Table 12: BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20R9T84
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM318608
PNG
((4S)-7-(3,5-Dimethylisoxazol-4-yl)-2-[4-(methylsul...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCCN(CC3)S(C)(=O)=O)n3[C@H](COc1c23)c1ccccn1 |r,wD:25.34,(-2.28,-6.72,;-3.61,-5.95,;-5.08,-6.42,;-5.98,-5.18,;-5.08,-3.93,;-5.85,-2.6,;-3.61,-4.41,;-2.28,-3.64,;-.95,-4.41,;.39,-3.64,;.39,-2.1,;1.16,-.76,;.39,.57,;1.16,1.91,;.2,3.11,;.54,4.61,;1.93,5.28,;3.32,4.61,;3.66,3.11,;2.7,1.91,;4.65,5.38,;5.42,4.05,;5.98,6.15,;3.88,6.72,;-.95,.21,;-2.28,.98,;-3.61,.21,;-3.61,-1.33,;-2.28,-2.1,;-.95,-1.33,;-2.28,2.52,;-3.61,3.29,;-3.61,4.83,;-2.28,5.6,;-.95,4.83,;-.95,3.29,)|
Show InChI InChI=1S/C25H28N6O4S/c1-16-22(17(2)35-28-16)18-8-9-20-23-24(18)34-15-21(19-7-4-5-10-26-19)31(23)25(27-20)29-11-6-12-30(14-13-29)36(3,32)33/h4-5,7-10,21H,6,11-15H2,1-3H3/t21-/m1/s1
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Table 12: BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20R9T84
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM318609
PNG
((4S)-7-(3,5-Dimethylisoxazol-4-yl)-2-piperazin-1-y...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCNCC3)n3[C@H](COc1c23)c1ccccn1 |r,wD:20.29,(-1.03,-6.16,;-2.36,-5.39,;-3.83,-5.87,;-4.73,-4.62,;-3.83,-3.37,;-4.6,-2.04,;-2.36,-3.85,;-1.03,-3.08,;.3,-3.85,;1.64,-3.08,;1.64,-1.54,;2.41,-.21,;1.64,1.13,;2.41,2.46,;3.96,2.46,;4.73,3.79,;3.96,5.13,;2.42,5.13,;1.65,3.79,;.3,.77,;-1.03,1.54,;-2.36,.77,;-2.36,-.77,;-1.03,-1.54,;.3,-.77,;-1.03,3.08,;-2.36,3.85,;-2.36,5.39,;-1.03,6.16,;.3,5.39,;.3,3.85,)|
Show InChI InChI=1S/C23H24N6O2/c1-14-20(15(2)31-27-14)16-6-7-18-21-22(16)30-13-19(17-5-3-4-8-25-17)29(21)23(26-18)28-11-9-24-10-12-28/h3-8,19,24H,9-13H2,1-2H3/t19-/m1/s1
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Table 12: BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20R9T84
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM318610
PNG
(2-{4-[(4S)-7-(3,5-Dimethylisoxazol-4-yl)-4-pyridin...)
Show SMILES CN(C)C(=O)CN1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wD:28.30,(4.35,7.64,;5.12,6.31,;6.66,6.31,;4.35,4.98,;5.12,3.64,;2.81,4.98,;2.04,3.64,;2.81,2.31,;2.04,.98,;.48,.98,;-.27,2.31,;.5,3.64,;-.29,-.36,;.48,-1.69,;-.29,-3.02,;-.29,-4.56,;-1.62,-5.33,;-2.96,-4.56,;-4.29,-5.33,;-4.29,-6.87,;-2.96,-7.64,;-5.75,-7.35,;-6.66,-6.1,;-5.75,-4.86,;-6.52,-3.53,;-2.96,-3.02,;-4.29,-2.25,;-4.29,-.71,;-2.96,.06,;-2.96,1.6,;-4.29,2.37,;-4.29,3.91,;-2.96,4.68,;-1.62,3.91,;-1.62,2.37,;-1.62,-.71,;-1.62,-2.25,)|
Show InChI InChI=1S/C27H31N7O3/c1-17-24(18(2)37-30-17)19-8-9-21-25-26(19)36-16-22(20-7-5-6-10-28-20)34(25)27(29-21)33-13-11-32(12-14-33)15-23(35)31(3)4/h5-10,22H,11-16H2,1-4H3/t22-/m1/s1
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Table 12: BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20R9T84
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM318611
PNG
(2-Cyano-N-{(3R)-1-[(4S)-7-(3,5-dimethylisoxazol-4-...)
Show SMILES CN([C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(=O)CC#N |r,wU:2.1,wD:23.25,(2.3,6.47,;2.3,4.93,;.97,4.16,;-.5,4.64,;-1.4,3.39,;-.5,2.15,;.97,2.62,;-1.27,.81,;-.5,-.52,;-1.27,-1.85,;-1.27,-3.39,;-2.6,-4.16,;-3.93,-3.39,;-5.27,-4.16,;-5.27,-5.7,;-3.93,-6.47,;-6.73,-6.18,;-7.64,-4.93,;-6.73,-3.69,;-7.5,-2.35,;-3.93,-1.85,;-5.27,-1.08,;-5.27,.46,;-3.93,1.23,;-3.93,2.77,;-2.6,3.54,;-2.6,5.08,;-3.93,5.85,;-5.27,5.08,;-5.27,3.54,;-2.6,.46,;-2.6,-1.08,;3.64,4.16,;3.64,2.62,;4.97,4.93,;6.3,4.16,;7.64,3.39,)|
Show InChI InChI=1S/C27H27N7O3/c1-16-24(17(2)37-31-16)19-7-8-21-25-26(19)36-15-22(20-6-4-5-12-29-20)34(25)27(30-21)33-13-10-18(14-33)32(3)23(35)9-11-28/h4-8,12,18,22H,9-10,13-15H2,1-3H3/t18-,22-/m1/s1
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Table 12: BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20R9T84
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM318612
PNG
(N-{(3R)-1-[(4S)-7-(3,5-Dimethylisoxazol-4-yl)-4-py...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CC[C@H](C3)NC(=O)N3CCOCC3)n3[C@H](COc1c23)c1ccccn1 |r,wU:16.19,wD:28.38,(-3.93,-6.86,;-5.27,-6.09,;-6.73,-6.56,;-7.64,-5.32,;-6.73,-4.07,;-7.5,-2.74,;-5.27,-4.55,;-3.93,-3.78,;-2.6,-4.55,;-1.27,-3.78,;-1.27,-2.24,;-.5,-.9,;-1.27,.43,;-.5,1.76,;-1.4,3.01,;-.5,4.25,;.97,3.78,;.97,2.24,;2.3,4.55,;3.64,3.78,;3.64,2.24,;4.97,4.55,;6.3,3.78,;7.64,4.55,;7.64,6.09,;6.3,6.86,;4.97,6.09,;-2.6,.07,;-3.93,.84,;-5.27,.07,;-5.27,-1.47,;-3.93,-2.24,;-2.6,-1.47,;-3.93,2.38,;-5.27,3.15,;-5.27,4.69,;-3.93,5.46,;-2.6,4.69,;-2.6,3.15,)|
Show InChI InChI=1S/C28H31N7O4/c1-17-24(18(2)39-32-17)20-6-7-22-25-26(20)38-16-23(21-5-3-4-9-29-21)35(25)27(31-22)34-10-8-19(15-34)30-28(36)33-11-13-37-14-12-33/h3-7,9,19,23H,8,10-16H2,1-2H3,(H,30,36)/t19-,23-/m1/s1
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Table 12: BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20R9T84
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM318613
PNG
(7-(3,5-Dimethylisoxazol-4-yl)-2-methyl-4-pyridin-2...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(C)n3[C@H](COc1c23)c1ccccn1 |r,wD:15.23,(-3.44,-2.04,;-2.67,-3.37,;-3.57,-4.62,;-2.67,-5.87,;-1.2,-5.39,;.13,-6.16,;-1.2,-3.85,;.13,-3.08,;1.47,-3.85,;2.8,-3.08,;2.8,-1.54,;3.57,-.21,;2.8,1.13,;3.57,2.46,;1.47,.77,;.13,1.54,;-1.2,.77,;-1.2,-.77,;.13,-1.54,;1.47,-.77,;.13,3.08,;1.47,3.85,;1.47,5.39,;.13,6.16,;-1.2,5.39,;-1.2,3.85,)|
Show InChI InChI=1S/C20H18N4O2/c1-11-18(12(2)26-23-11)14-7-8-16-19-20(14)25-10-17(24(19)13(3)22-16)15-6-4-5-9-21-15/h4-9,17H,10H2,1-3H3/t17-/m1/s1
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Table 12: BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20R9T84
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM318614
PNG
(Methyl {(3R)-1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)...)
Show SMILES COC(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wU:5.4,wD:26.28,(6.88,3.1,;5.79,4.19,;4.3,3.79,;3.9,2.3,;3.21,4.88,;1.73,4.48,;.26,4.95,;-.64,3.71,;.26,2.46,;1.73,2.94,;-.51,1.13,;.26,-.21,;-.51,-1.54,;-.51,-3.08,;-1.84,-3.85,;-3.18,-3.08,;-4.51,-3.85,;-4.51,-5.39,;-3.18,-6.16,;-5.97,-5.87,;-6.88,-4.62,;-5.97,-3.37,;-6.74,-2.04,;-3.18,-1.54,;-4.51,-.77,;-4.51,.77,;-3.18,1.54,;-3.18,3.08,;-4.51,3.85,;-4.51,5.39,;-3.18,6.16,;-1.84,5.39,;-1.84,3.85,;-1.84,.77,;-1.84,-.77,)|
Show InChI InChI=1S/C25H26N6O4/c1-14-21(15(2)35-29-14)17-7-8-19-22-23(17)34-13-20(18-6-4-5-10-26-18)31(22)24(28-19)30-11-9-16(12-30)27-25(32)33-3/h4-8,10,16,20H,9,11-13H2,1-3H3,(H,27,32)/t16-,20-/m1/s1
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Table 12: BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20R9T84
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM318615
PNG
(7-(3,5-Dimethylisoxazol-4-yl)-9-fluoro-N,N-dimethy...)
Show SMILES CN(C)c1nc2c(F)cc(-c3c(C)noc3C)c3OCC(c4cccnc4)n1c23 |(2.03,3.79,;2.8,2.46,;4.34,2.46,;2.03,1.13,;2.8,-.21,;2.03,-1.54,;2.03,-3.08,;3.36,-3.85,;.7,-3.85,;-.64,-3.08,;-1.97,-3.85,;-1.97,-5.39,;-.64,-6.16,;-3.44,-5.87,;-4.34,-4.62,;-3.44,-3.37,;-4.21,-2.04,;-.64,-1.54,;-1.97,-.77,;-1.97,.77,;-.64,1.54,;-.64,3.08,;-1.97,3.85,;-1.97,5.39,;-.64,6.16,;.7,5.39,;.7,3.85,;.7,.77,;.7,-.77,)|
Show InChI InChI=1S/C21H20FN5O2/c1-11-17(12(2)29-25-11)14-8-15(22)18-19-20(14)28-10-16(13-6-5-7-23-9-13)27(19)21(24-18)26(3)4/h5-9,16H,10H2,1-4H3
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Table 12: BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20R9T84
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM318616
PNG
(1-[7-(3,5-Dimethylisoxazol-4-yl)-9-fluoro-4-pyridi...)
Show SMILES Cc1noc(C)c1-c1cc(F)c2nc(N3CCC(O)C3)n3C(COc1c23)c1cccnc1 |(-1.8,-6.16,;-3.14,-5.39,;-4.6,-5.87,;-5.51,-4.62,;-4.6,-3.37,;-5.37,-2.04,;-3.14,-3.85,;-1.8,-3.08,;-.47,-3.85,;.86,-3.08,;2.2,-3.85,;.86,-1.54,;2.2,-.77,;1.39,.87,;2.16,2.21,;1.68,3.67,;2.93,4.58,;4.17,3.67,;5.51,4.44,;3.7,2.21,;-.47,.77,;-1.8,1.54,;-3.14,.77,;-3.14,-.77,;-1.8,-1.54,;-.47,-.77,;-1.8,3.08,;-3.14,3.85,;-3.14,5.39,;-1.8,6.16,;-.47,5.39,;-.47,3.85,)|
Show InChI InChI=1S/C23H22FN5O3/c1-12-19(13(2)32-27-12)16-8-17(24)20-21-22(16)31-11-18(14-4-3-6-25-9-14)29(21)23(26-20)28-7-5-15(30)10-28/h3-4,6,8-9,15,18,30H,5,7,10-11H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
Table 12: BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20R9T84
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM318617
PNG
(7-(3,5-Dimethylisoxazol-4-yl)-N-ethyl-9-fluoro-4-p...)
Show SMILES CCNc1nc2c(F)cc(-c3c(C)noc3C)c3OCC(c4cccnc4)n1c23 |(4.99,3.54,;4.22,2.21,;2.68,2.21,;1.91,.87,;2.72,-.77,;1.38,-1.54,;1.38,-3.08,;2.72,-3.85,;.05,-3.85,;-1.28,-3.08,;-2.62,-3.85,;-2.62,-5.39,;-1.28,-6.16,;-4.08,-5.87,;-4.99,-4.62,;-4.08,-3.37,;-4.85,-2.04,;-1.28,-1.54,;-2.62,-.77,;-2.62,.77,;-1.28,1.54,;-1.28,3.08,;-2.62,3.85,;-2.62,5.39,;-1.28,6.16,;.05,5.39,;.05,3.85,;.05,.77,;.05,-.77,)|
Show InChI InChI=1S/C21H20FN5O2/c1-4-24-21-25-18-15(22)8-14(17-11(2)26-29-12(17)3)20-19(18)27(21)16(10-28-20)13-6-5-7-23-9-13/h5-9,16H,4,10H2,1-3H3,(H,24,25)
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TBA

Assay Description
Table 12: BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20R9T84
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM318618
PNG
((3R)-1-[7-(3,5-Dimethylisoxazol-4-yl)-4-pyridin-3-...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CC[C@@H](O)C3)n3C(COc1c23)c1cccnc1 |r,wU:16.17,(-1.8,-6.16,;-3.14,-5.39,;-4.6,-5.87,;-5.51,-4.62,;-4.6,-3.37,;-5.37,-2.04,;-3.14,-3.85,;-1.8,-3.08,;-.47,-3.85,;.86,-3.08,;.86,-1.54,;2.2,-.77,;1.39,.87,;2.16,2.21,;1.68,3.67,;2.93,4.58,;4.17,3.67,;5.51,4.44,;3.7,2.21,;-.47,.77,;-1.8,1.54,;-3.14,.77,;-3.14,-.77,;-1.8,-1.54,;-.47,-.77,;-1.8,3.08,;-3.14,3.85,;-3.14,5.39,;-1.8,6.16,;-.47,5.39,;-.47,3.85,)|
Show InChI InChI=1S/C23H23N5O3/c1-13-20(14(2)31-26-13)17-5-6-18-21-22(17)30-12-19(15-4-3-8-24-10-15)28(21)23(25-18)27-9-7-16(29)11-27/h3-6,8,10,16,19,29H,7,9,11-12H2,1-2H3/t16-,19?/m1/s1
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TBA

Assay Description
Table 12: BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20R9T84
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM318618
PNG
((3R)-1-[7-(3,5-Dimethylisoxazol-4-yl)-4-pyridin-3-...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CC[C@@H](O)C3)n3C(COc1c23)c1cccnc1 |r,wU:16.17,(-1.8,-6.16,;-3.14,-5.39,;-4.6,-5.87,;-5.51,-4.62,;-4.6,-3.37,;-5.37,-2.04,;-3.14,-3.85,;-1.8,-3.08,;-.47,-3.85,;.86,-3.08,;.86,-1.54,;2.2,-.77,;1.39,.87,;2.16,2.21,;1.68,3.67,;2.93,4.58,;4.17,3.67,;5.51,4.44,;3.7,2.21,;-.47,.77,;-1.8,1.54,;-3.14,.77,;-3.14,-.77,;-1.8,-1.54,;-.47,-.77,;-1.8,3.08,;-3.14,3.85,;-3.14,5.39,;-1.8,6.16,;-.47,5.39,;-.47,3.85,)|
Show InChI InChI=1S/C23H23N5O3/c1-13-20(14(2)31-26-13)17-5-6-18-21-22(17)30-12-19(15-4-3-8-24-10-15)28(21)23(25-18)27-9-7-16(29)11-27/h3-6,8,10,16,19,29H,7,9,11-12H2,1-2H3/t16-,19?/m1/s1
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n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
Table 12: BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20R9T84
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM318618
PNG
((3R)-1-[7-(3,5-Dimethylisoxazol-4-yl)-4-pyridin-3-...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CC[C@@H](O)C3)n3C(COc1c23)c1cccnc1 |r,wU:16.17,(-1.8,-6.16,;-3.14,-5.39,;-4.6,-5.87,;-5.51,-4.62,;-4.6,-3.37,;-5.37,-2.04,;-3.14,-3.85,;-1.8,-3.08,;-.47,-3.85,;.86,-3.08,;.86,-1.54,;2.2,-.77,;1.39,.87,;2.16,2.21,;1.68,3.67,;2.93,4.58,;4.17,3.67,;5.51,4.44,;3.7,2.21,;-.47,.77,;-1.8,1.54,;-3.14,.77,;-3.14,-.77,;-1.8,-1.54,;-.47,-.77,;-1.8,3.08,;-3.14,3.85,;-3.14,5.39,;-1.8,6.16,;-.47,5.39,;-.47,3.85,)|
Show InChI InChI=1S/C23H23N5O3/c1-13-20(14(2)31-26-13)17-5-6-18-21-22(17)30-12-19(15-4-3-8-24-10-15)28(21)23(25-18)27-9-7-16(29)11-27/h3-6,8,10,16,19,29H,7,9,11-12H2,1-2H3/t16-,19?/m1/s1
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n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
Table 12: BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20R9T84
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))
BDBM318618
PNG
((3R)-1-[7-(3,5-Dimethylisoxazol-4-yl)-4-pyridin-3-...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CC[C@@H](O)C3)n3C(COc1c23)c1cccnc1 |r,wU:16.17,(-1.8,-6.16,;-3.14,-5.39,;-4.6,-5.87,;-5.51,-4.62,;-4.6,-3.37,;-5.37,-2.04,;-3.14,-3.85,;-1.8,-3.08,;-.47,-3.85,;.86,-3.08,;.86,-1.54,;2.2,-.77,;1.39,.87,;2.16,2.21,;1.68,3.67,;2.93,4.58,;4.17,3.67,;5.51,4.44,;3.7,2.21,;-.47,.77,;-1.8,1.54,;-3.14,.77,;-3.14,-.77,;-1.8,-1.54,;-.47,-.77,;-1.8,3.08,;-3.14,3.85,;-3.14,5.39,;-1.8,6.16,;-.47,5.39,;-.47,3.85,)|
Show InChI InChI=1S/C23H23N5O3/c1-13-20(14(2)31-26-13)17-5-6-18-21-22(17)30-12-19(15-4-3-8-24-10-15)28(21)23(25-18)27-9-7-16(29)11-27/h3-6,8,10,16,19,29H,7,9,11-12H2,1-2H3/t16-,19?/m1/s1
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n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
Table 12: BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20R9T84
More data for this
Ligand-Target Pair
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